AG0033N8

619-21-6 | 3-Formylbenzoic acid

AG0033N8

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CAS Number	619-21-6
Catalog Number	AG0033N8(AGN-PC-0JKAEF)
Chemical Name	3-Formylbenzoic acid
EC Number	210-585-6
IUPAC Name	3-formylbenzoic acid
InChI	InChI=1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)
InChI Key	UHDNUPHSDMOGCR-UHFFFAOYSA-N
MDL Number	MFCD00039575
Molecular Formula	C8H6O3
Molecular Weight	150.1314
SMILES	C1=C(C=CC=C1C(O)=O)C=O
UNII	HB95GRM95D
Synonyms	3-FORMYLBENZOIC ACID, 3-Carboxybenzaldehyde, 619-21-6, Benzoic acid, 3-formyl-, m-Formyl benzoic acid, 3-formyl benzoic acid, 3-Formyl-benzoic acid, UNII-HB95GRM95D, MFCD00039575, EINECS 210-585-6, HB95GRM95D, UHDNUPHSDMOGCR-UHFFFAOYSA-N, 3-Carboxybenzaldehyde, 98%, m-CARBOXYBENZALDEHYDE, 3-FormylbenzoicAcid, Isophthalaldehydsaure, Isophthalaldehydic acid, 3-carboxy-benzaldehyde, 3 - Carboxybenzaldehyde, 3-Formylbenzoic acid #, AC1L1YSL, AC1Q73JZ, 3-Formylbenzoic acid, 97%, KSC353G9R, SCHEMBL266698, CHEMBL583576, DTXSID0060696, CTK2F3398, KS-00000CCO, UHDNUPHSDMOGCR-UHFFFAOYSA-, ALBB-018620, BCP18649, ZINC2034365, ANW-33993, SBB008438, AKOS005131063, CS-W001607, EBD3060122, FR-2055, GS-3346, MCULE-8413029459, RP21339, RTR-021295, TRA0062685, AJ-32984, AK-45897, AN-46652, BC211730, BR-45897, SC-13343, SY003064, AB1003586, DB-054022, LS-181670, ST2417726, TR-021295, 4CH-002304, AM20060695, FT-0602351, I0851, ST50824197, 3-Carboxybenzaldehyde; Isophthalaldehydic acid, 19C216, MFCD00039575 (97+%), AE-562/40256786, W-105078, F0001-1645, InChI=1/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11), m-formylbenzoic acid, 4-Carboxybenzaldehyde, C8H6O3, Benzoic acid, 3-formyl- (9CI), C8-H6-O3, CID12077, ACN-048363, 3-Carboxybenzaldehyde, 98% - 1G 1g, S-1846, CHEMPACIFIC 41257; RARECHEM AL BO 0010; TIMTEC-BB SBB008438; 3-FORMYL-BENZOICACI; M-FORMYLBENZOIC ACID; 3-FORMYLBENZOIC ACID; M-CARBOXYBENZALDEHYDE; 3-CARBOXYBENZALDEHYDE; ISOPHTHALALDEHYDIC ACID; META-CARBOXYBENZAIDEHYDE,

Complexity	165
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	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number