AG003LGI

619-66-9 | 4-Formylbenzoic acid

AG003LGI

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CAS Number	619-66-9
Catalog Number	AG003LGI(AGN-PC-0CQ0NH)
Chemical Name	4-Formylbenzoic acid
EC Number	210-607-4
IUPAC Name	4-formylbenzoic acid
InChI	InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)
InChI Key	GOUHYARYYWKXHS-UHFFFAOYSA-N
MDL Number	MFCD00006951
Molecular Formula	C8H6O3
Molecular Weight	150.1314
NSC Number	15797
SMILES	C1=C(C=CC(=C1)C=O)C(O)=O
UNII	UES4QRK36E
Synonyms	4-carboxybenzaladehyde, para-carboxybenzaldehyde, 4-FORMYLBENZOIC ACID, 4-Carboxybenzaldehyde, 619-66-9, Terephthalaldehydic acid, Benzoic acid, 4-formyl-, p-Formylbenzoic acid, p-Carboxybenzaldehyde, Terephthaldehydic acid, 4-Carboxybenzaladehyde, 4-Formyl-benzoic acid, 4-FormylbenzoicAcid, UNII-UES4QRK36E, MFCD00006951, 4-formyl benzoic acid, HSDB 5719, EINECS 210-607-4, NSC 15797, UES4QRK36E, BRN 0471734, Benzaldehyde-4-carboxylic acid, GOUHYARYYWKXHS-UHFFFAOYSA-N, 4-Carboxybenzaldehyde, 96%, 4carboxybenzaldehyde, 4-carboxybenzaldehyd, 4formyl-benzoic acid, PubChem8075, 4-carboxy benzaldehyde, 4-carboxy-benzaldehyde, P-CBA, Para-carboxy benzaldehyde, AC1L1YTI, DSSTox_CID_7249, DSSTox_RID_78369, DSSTox_GSID_27249, SCHEMBL63361, 4-CARBOXLYBENZALDEHYDE, 4-Formylbenzoic acid, 97%, 4-10-00-02752 (Beilstein Handbook Reference), KSC169O6R, MLS001055479, AC1Q737Y, ACMC-1B065, CHEMBL113897, PARAGOS 530019, RARECHEM AL BO 0196, DTXSID3027249, KS-00000CAS, TIMTEC-BB SBB040263, 4-Carboxybenzaldehyde treated BSA, HMS3039O15, ZINC151786, ACT08104, NSC15797, STR02622, AKOS BBS-00003246, Tox21_202478, AN-755, ANW-34016, BBL013694, NSC-15797, RW2298, SBB040263, STK246716, AKOS000119630, AC-2502, AS00836, CS-W018162, LS10649, MCULE-2960554549, PS-5298, RP21340, RTR-021312, TRA0071596, OTAVA-BB 7018801956, NCGC00091002-01, NCGC00260027-01, AJ-12678, AK-45367, BC203124, BP-20406, BR-45367, CAS-619-66-9, FS000607, SC-05800, SMR000686064, SY001684, AB1002831, DB-013434, LS-148714, ST2418385, TL8003999, TR-021312, A8577, AM20050572, FT-0617957, ST50208668, MFCD00006951 (98%), 19F669, M-5898, 4-Carboxybenzaldehyde treated bovine serum albumin, AE-562/40596592, I01-0586, W-105066, 4-Formylbenzoic acid, Vetec(TM) reagent grade, 97%, F2191-0026, 4-Carboxybenzaldehyde; Benzaldehyde-4-carboxylic acid; Terephthalaldehydic acid, InChI=1/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11, benzoic acid, p-Formylbenzoesaure, p-Methanoylbenzoesaure, para-carboxybenzaldehyde, C8H6O3, 4-Carboxybenzaldehyde, 98% 10g, Benzoic acid, 4-formyl- (9CI), C8-H6-O3, CID12088, ACN-054082, T0011, 4-Carboxybenzaldehyde, 97% - 100G 100g, C033525, DTHKSEIAHRFKDLGEEQFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQDCCQAEDKGACLLPKIETMREKVLASSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.032g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	150.133g/mol
Monoisotopic Mass	150.032g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number