AG001P7S

1571-08-0 | Benzoic acid, 4-formyl-, methyl ester

AG001P7S

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CAS Number	1571-08-0
Catalog Number	AG001P7S(AGN-PC-01ZCJD)
Chemical Name	Benzoic acid, 4-formyl-, methyl ester
EC Number	216-385-5
IUPAC Name	methyl 4-formylbenzoate
InChI	InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3
InChI Key	FEIOASZZURHTHB-UHFFFAOYSA-N
MDL Number	MFCD00006950
Molecular Formula	C9H8O3
Molecular Weight	164.1580
NSC Number	28459
SMILES	C1=C(C(OC)=O)C=CC(=C1)C=O
UNII	NH766742VV
Synonyms	METHYL 4-FORMYLBENZOATE, 1571-08-0, Methyl p-formylbenzoate, 4-Carbomethoxybenzaldehyde, Benzoic acid, 4-formyl-, methyl ester, p-Carbomethoxybenzaldehyde, Methyl terephthalaldehydate, 4-(Methoxycarbonyl)benzaldehyde, Methyl terephthaldehydate, methyl4-formylbenzoate, 4-Formylbenzoic Acid Methyl Ester, Methyl-p-formyl benzoate, Terephthalaldehydic acid, methyl ester, Methyl benzaldehyde-4-carboxylate, p-Formylbenzoic acid methyl ester, p-Methoxycarbonylbenzaldehyde, 4-Carboxybenzaldehyde methyl ester, 2-Methoxycarbonylbenzaldehyde, NSC 28459, UNII-NH766742VV, CCRIS 6063, HSDB 5842, EINECS 216-385-5, MFCD00006950, Terephthalaldehydic Acid Methyl Ester, Methyl 4-FormYl-Benzoate, 4-methoxycarbonylbenzaldehyde, p-(Methoxycarbonyl)benzaldehyde, Methyl 4-formylbenzoate, 99%, FEIOASZZURHTHB-UHFFFAOYSA-N, NH766742VV, 4-formyl-benzoic acid methyl ester, DSSTox_CID_5610, DSSTox_RID_77853, DSSTox_GSID_25610, CAS-1571-08-0, methyl-4-formylbenzoate, 2-methylterephthalate, methyl p formylbenzoate, Methyl 4-formylbezoate, methyl 4 formylbenzoate, PubChem17488, p-carbomethoxybenzaldehye, 4-Carbmethoxybenzaldehyde, methyl-4-formyl-benzoate, 4-carbomethoxy benzaldehyde, 4-Formylbenzoic acid methyl, SCHEMBL79533, 4-formyl benzoic acid methyl, KSC175Q2J, MLS002415742, AC1L25L8, Jsp003100, 4-formylbenzoic acid methylester, CHEMBL1607943, DTXSID4025610, methyl 4-formylbenzenecarboxylate, CTK0H5824, ZINC16592, 4-HC(O)-C6H4-COOCH3, 4-formylbenzoic acid, methyl ester, AC1Q4388, AC1Q4389, ALBB-026582, KS-00000AY9, NSC28459, STR02252, Tox21_202369, Tox21_303302, ANW-21674, BBL011959, LS-903, NSC-28459, SBB008362, STK199271, AKOS000268627, AS-5672, AS06270, CS-W009013, EBD2219144, FR-1289, MCULE-6448760622, RP22698, RTC-064107, TRA-0186653, NCGC00091198-01, NCGC00091198-02, NCGC00091198-03, NCGC00091198-04, NCGC00257074-01, NCGC00259918-01, AC-23115, AC-24989, AJ-08387, AK-30551, AN-19741, BC206269, BP-12332, BR-30551, P249, SC-15115, SMR001252203, SY003456, ZB000744, DB-012901, ST2413409, TC-064107, AM20060844, FT-0633673, ST50208676, EN300-15457, MFCD00006950 (98%), 71M080, A25132, M-3965, I01-0631, Q-201377, 4-Formylbenzoic acid methyl ester;Terephthalaldehydic acid methyl ester, InChI=1/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H, mono-Methylterephthalate, Mono-methyl terephthalate, mono-Methyl terephthlate, Benzoic acid, methyl ester, C9H8O3, Methyl 4-formylbenzoate, 98% 5g, C9-H8-O3, CID15294, 1,4-Benzenedicarboxylic acid, monomethyl ester, A3718, T0012, Methyl 4-formylbenzoate, 99% - 100G 100g, 1679-64-7,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.047g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.16g/mol
Monoisotopic Mass	164.047g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number